MMsINC Database Search


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MMsINC code: MMs02196266

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₃

SMILES:

Clc1cc2OC(=O)N(c2cc1)CNc1ccccc1OC

InChI:

InChI=1/C15H13ClN2O3/c1-20-13-5-3-2-4-11(13)17-9-18-12-7-6-10(16)8-14(12)21-15(18)19/h2-8,17H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.3207 kcal/mol

Physical Properties
Molecular Weight: 304.733 g/mol	logS: -4.13734	SlogP: 3.737	Reactive groups: 0

Topological Properties
Globularity: 0.0940641	Sterimol/B1: 2.52939	Sterimol/B2: 3.19865	Sterimol/B3: 4.33153
Sterimol/B4: 7.46604	Sterimol/L: 15.0738

Surface and Volume Properties
Accessible surface: 509.978	Positive charged surface: 293.876	Negative charged surface: 216.102	Volume: 268.625
Hydrophobic surface: 426.338	Hydrophilic surface: 83.64

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.